Geometry & MOs

Info

ID:	56437
PubChem CID:	17425452
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	395.235497
ΔH_f, kcal/mol:	33.54
Dipole, Da:	5.93
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CO3

DOS

IR

Vibrations